ergo
fun-p86c.c File Reference
#include <math.h>
#include <stddef.h>
#include "functionals.h"

Macros

#define __CVERSION__
 

Functions

static int p86c_isgga (void)
 
static int p86c_read (const char *conf_line)
 
static real p86c_energy (const FunDensProp *dp)
 
static void p86c_first (FunFirstFuncDrv *ds, real factor, const FunDensProp *dp)
 
static void p86c_second (FunSecondFuncDrv *ds, real factor, const FunDensProp *dp)
 
static void p86c_third (FunThirdFuncDrv *ds, real factor, const FunDensProp *dp)
 

Variables

Functional P86cFunctional
 

Detailed Description

P86c implementation.

Automatically generated code implementing p86c functional and its derivatives. Generated by func-codegen.pl being a part of a "Automatic code generation framework for analytical functional derivative evaluation", Pawel Salek, 2004

This functional is connected by making following changes:

  1. add "extern Functional p86cFunctional;" to 'functionals.h'
  2. add "&p86cFunctional," to 'functionals.c'
  3. add "fun-p86c}.c" to 'Makefile.am', 'Makefile.in' or 'Makefile'.

This functional has been generated from following input: ---— cut here ----— c0: 1.667e-3; cn1: 2.568e-3; cn2: 2.3266e-2; cn3: 7.389e-6; cd1: 1.0; cd2: 8.723; cd3: 0.472; cd4: 1.0e4*cn3; cinf: c0+cn1/cd1; phi1: (9.0*PI)^(1/6); phi2: 0.11;

rho: rhoa + rhob; grad: sqrt(grada*grada + gradb*gradb + 2*gradab); zeta: (rhoa-rhob)/(rhoa+rhob); dzet: 2^(1/3)*sqrt(((1+zeta)/2)^(5/3) + ((1-zeta)/2)^(5/3));

rs: (3/(4*PI*rho))^(1/3); crho: c0 + (cn1+cn2*rs+cn3*rs^2)/(1+cd2*rs+cd3*(rs^2)+cd4*(rs^3)); phi: phi1*phi2*(cinf/crho)*grad*(rho^(-7.0/6.0));

K(rhoa,rhob,grada,gradb,gradab):=exp(-phi)*crho*(grad^2)*(rho^(-4.0/3.0))/dzet;

------ cut here -------

Macro Definition Documentation

◆ __CVERSION__

#define __CVERSION__

Function Documentation

◆ p86c_energy()

◆ p86c_first()

◆ p86c_isgga()

static int p86c_isgga ( void  )
static

◆ p86c_read()

static int p86c_read ( const char *  conf_line)
static

References fun_set_hf_weight.

◆ p86c_second()

◆ p86c_third()

Variable Documentation

◆ P86cFunctional

Functional P86cFunctional
Initial value:

Referenced by b3p86_read(), b3p86g_read(), and bp86_read().

p86c_read
static int p86c_read(const char *conf_line)
Definition: fun-p86c.c:102
p86c_energy
static real p86c_energy(const FunDensProp *dp)
Definition: fun-p86c.c:109
p86c_second
static void p86c_second(FunSecondFuncDrv *ds, real factor, const FunDensProp *dp)
Definition: fun-p86c.c:235
p86c_first
static void p86c_first(FunFirstFuncDrv *ds, real factor, const FunDensProp *dp)
Definition: fun-p86c.c:146
p86c_third
static void p86c_third(FunThirdFuncDrv *ds, real factor, const FunDensProp *dp)
Definition: fun-p86c.c:478
p86c_isgga
static int p86c_isgga(void)
Definition: fun-p86c.c:79